Results 71 to 80 of about 270,244 (281)

Gibbs free energy difference between the undercooled liquid and the beta-phase of a Ti-Cr alloy [PDF]

, 1992
The heat of fusion and the specific heats of the solid and liquid have been experimentally determined for a Ti60Cr40 alloy. The data are used to evaluate the Gibbs free energy difference, DELTA-G, between the liquid and the beta-phase as a function of ...
Holzer, J. C., Johnson, W. L., Ohsaka, K., Trinh, E. H.   +3 more
core  

Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation

Advanced Functional Materials, EarlyView.
Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv, Guixia Fan, Yun Bai, Guosheng Li, Peng Li, Wenjihao Hu, Yijun Cao, Wenshuai Yang, Daoguang Teng, Hongbo Zeng   +9 more
wiley   +1 more source

Thermodynamics and phase transitions of non-linear charged black hole in AdS spacetime

European Physical Journal C: Particles and Fields, 2018
We have derived a non-linear charged black hole solution, in the AdS spacetime, which behaves asymptotically like the RN-AdS black hole but at the short distances like a dS geometry. Thus, the black hole is regular.
Cao H. Nam
doaj   +1 more source

Accelerated Discovery of High Performance Ni3S4/Ni3Mo HER Catalysts via Bayesian Optimization

Advanced Functional Materials, EarlyView.
Integrated workflow accelerates the catalyst discovery of hydrogen evolution reaction via Bayesian optimization. An experiment‐trained surrogate model proposes synthesis conditions, guiding iterative refinement using electrochemical performance metrics.
Namuersaihan Namuersaihan, Zhiqiang Zhao, Oliver J. Conquest, Ying Shu, Haoyue Sun, Chunjing Su, Qi Cheng, Aloysius Soon, Catherine Stampfl, Jun Huang   +9 more
wiley   +1 more source

Energetic Aspects and Molecular Mechanism of 3-Nitro-substituted 2-Isoxazolines Formation via Nitrile N-Oxide [3+2] Cycloaddition: An MEDT Computational Study

Molecules
Regioselectivity and the molecular mechanism of the [3+2] cycloaddition reaction between nitro-substituted formonitrile N-oxide 1 and electron-rich alkenes were explored on the basis of the wb97xd/6-311+G(d) (PCM) quantum chemical calculations.
Ewa Dresler, Aneta Wróblewska, Radomir Jasiński   +2 more
doaj   +1 more source

Adsorção de alfa-lactalbumina do soro de leite em hidroxiapatita: efeito do pH e da temperatura e análise termodinâmica

Química Nova, 2014
The nutritional and functional benefits offered by whey protein α-lactalbumin justify the great interest in its manufacture in large quantities at a high purity level.
Rita de Cássia Superbi de Sousa, Jane Sélia dos Reis Coimbra, Liliana de Luca Xavier Augusto, Leomir Samuel Tormen Reis   +3 more
doaj   +1 more source

Gibbs free energy of reactions involving SiC, Si3N4, H2, and H2O as a function of temperature and pressure [PDF]

Silicon carbide and silicon nitride are considered for application as structural materials and coating in advanced propulsion systems including nuclear thermal.
Isham, M. A.
core   +1 more source

Frontier Advances of Emerging High‐Entropy Anodes in Alkali Metal‐Ion Batteries

Advanced Functional Materials, EarlyView.
Recent advances in microscopic morphology control of high‐entropy anode materials for alkali metal‐ion batteries. Abstract With the growing demand for sustainable energy, portable energy storage systems have become increasingly critical. Among them, the development of rechargeable batteries is primarily driven by breakthroughs in electrode materials ...
Liang Du, Kaidi Zhang, Liang Wang, Di Zhao, Mengqing Hu, Mingli Li, Ming Zhou, Zhenzhen Wu, Mengyang Dong, Bo Fu, Porun Liu, Yun Wang, Hongxia Wang, Yuantong Gu, Lei Zhang   +14 more
wiley   +1 more source

Dual‐Site Ru Single‐Atoms and RuP Nanoclusters on N, P, and B Co‐Doped Porous Carbon for Efficient Alkaline HER and AEM Water Electrolysis

Advanced Functional Materials, EarlyView.
Ru single atoms and RuP nanoclusters are co‐anchored in N, P, and B co‐doped porous carbon nanospheres via in situ carbonization/phosphidation of a boronate polymer precursor. RuP activates water, while nearby Ru single atoms accelerate H2 formation through H* transfer. The catalyst delivers low overpotential and high durability in alkaline HER and AEM
Xiaohong Wang, Juguo Dai, Dongxu Li, Jianghua Wu, Hucheng Fu, Yiting Xu, Xueqiang Qi, Qian Xue, Yanbin Shen, Xiaoqing Pan, Conghui Yuan, Shuifen Xie, Andreu Cabot, Lizong Dai   +13 more
wiley   +1 more source

Studying the geometrical, electronic and spectroscopic properties comparative between corannulene and coronene: Via DFT study

Next Materials
The geometrical, spectroscopic, electronic, and thermo-dynamic coronene characterization (C24, C24O), and Corannulene (C20, C20O) have been investigated and contrasted in the present study.
Hamid A. Fayyadh, Mohammed T. Hussein, Taif Talib Khalaf   +2 more
doaj   +1 more source